5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid

• ChemBase ID: 51
• Molecular Formular: C8H14O2S2
• Molecular Mass: 206.32556
• Monoisotopic Mass: 206.04352169
• SMILES: S1SCC[C@H]1CCCCC(=O)O
• Canonical SMILES: OC(=O)CCCC[C@H]1SSCC1
• InChI: InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
• InChIKey: AGBQKNBQESQNJD-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
• IUPAC Traditional name: lipoic acid
• Brand Name: Heparlipon; Biletan; Thioctsan
• Synonyms: Lipoate; Thioctic acid; alpha-Lipoic acid; 1,2-Dithiolane-3R-pentanoic acid; α-Lipoic acid (alpha lipoic acid); 6,8-Dithiooctanoic acid; (R)-6,8-Dithiooctanoic acid; (R)-6,8-Thioctic acid; (R)-(+)-1,2-Dithiolane-3-pentanoic acid; DL-6,8-DITHIOOCTANOIC ACID; (R)-(+)-1,2-Dithiolane-3-pentanoic acid; (R)-(+)-α-Lipoic acid; (R)-5-(1,2-Dithiolan-3-yl)pentanoic acid; Lipoic Acid; (R)-6,8-二硫辛酸; (R)-6,8-硫辛酸; (R)-(+)-1,2-二硫戊环基-3-戊酸; (R)-(+)-1,2-二硫戊环基-3-戊酸; (R)-(+)-α-硫辛酸

Database IDs

• CAS Number: 1077-28-7; 1200-22-2; 62-46-4
• MDL Number: MFCD01631142
• PubChem SID: 24881001; 160963514
• PubChem CID: 6112
• CHEBI ID: 30314
• ATC CODE: A16AX01
• CHEMBL: 134342
• Chemspider ID: 5886
• DrugBank ID: DB00166
• KEGG ID: C16241
• MeSH Name: Lipoic+acid
• Wikipedia Title: Lipoic_acid